Molecule card · MolClass #47745
7966691
7966691: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
1 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 7966691Mitochondrial Fusion · compound_name
- MolClass ID
- 47745
- InChIKey
- YOBMVDVCDIJCFA-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc2nc(O)c(cc2(c1))c3noc(n3)C(C)C
- Standard InChI
- InChI=1S/C15H15N3O2/c1-8(2)15-17-13(18-20-15)11-7-10-6-9(3)4-5-12(10)16-14(11)19/h4-8H,1-3H3,(H,16,19)
- Stored Murcko scaffold
- n1ocnc1-c2cnc3ccccc3c2
Registry normalization: MIGRATED_RAW. A registry entry does not establish drug approval or clinical use.
Molecules with the same Murcko scaffold
Exact matches to the stored ring-and-linker framework. Sharing a scaffold does not by itself establish activity or applicability to a model.
- 3118139#15405
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 72.04 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 269.299 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.795
- CDK 2.12 · 2026-08-19
Saved model predictions
Computational predictions, not experimental measurements or clinical guidance. Results depend on the model build; applicability indicates similarity to its training chemistry.
No saved predictions yet. Explore classification models to choose a prediction.
Source datasets
Dataset registrations and identifiers stored in MolClass.
Mitochondrial Fusion
Dataset #19 · 7966691